4-Chloro-5-fluoro-1H-indole-2,3-dione

Basic Information

View in Editor

CAS Number

84378-94-9

Molecular Formula

C8H3ClFNO2

Molecular Weight

199.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

View in Editor

O=C1NC2=C(C(Cl)=C(F)C=C2)C1=O

InChI

InChI=1S/C8H3ClFNO2/c9-6-3(10)1-2-4-5(6)7(12)8(13)11-4/h1-2H,(H,11,12,13)

InChIKey

SWUGYKGLXFMLEN-UHFFFAOYSA-N

LogP

1.6138999999999997

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

271

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1H-INDOLE-2,3-DIONE, 4-CHLORO-5-FLUORO-
4-Chloro-5-fluoroindoline-2,3-dione
4-chloro-5-fluoro-1H-indole-2,3-dione
4-chloro-5-fluoroisatin
4-chloro-5-fluoro-isatin
SWUGYKGLXFMLEN-UHFFFAOYSA-N
AK431521
4-chloro-5-fluoro-2,3-dihydro-1H-indole-2,3-dione

MDL Number

MFCD03618550

FAQ

What are the physical and chemical properties of 4-Chloro-5-fluoro-1H-indole-2,3-dione (CAS: 84378-94-9)?

4-Chloro-5-fluoro-1H-indole-2,3-dione (CAS: 84378-94-9) is a crystalline solid with a molecular weight of approximately 245.02 g/mol. It has a melting point of 160-162°C and is slightly soluble in water. It is chemically reactive, particularly towards nucleophiles and bases. It is susceptible to hydrolysis under basic conditions and will undergo electrophilic substitution reactions.

How is 4-Chloro-5-fluoro-1H-indole-2,3-dione (CAS: 84378-94-9) typically synthesized?

4-Chloro-5-fluoro-1H-indole-2,3-dione (CAS: 84378-94-9) is typically synthesized via a multi-step process involving indole ring formation and subsequent chlorination and fluorination. Commonly, indole is protected at the C3 position, followed by chlorination and subsequent fluorination steps. The process involves the use of Lewis acids and halogenating agents, with yields ranging from 50% to 70%.

What industries use 4-Chloro-5-fluoro-1H-indole-2,3-dione (CAS: 84378-94-9)?

4-Chloro-5-fluoro-1H-indole-2,3-dione (CAS: 84378-94-9) is used in the pharmaceutical industry for the synthesis of certain drugs due to its functional groups. It is also employed in the sensor technology and semiconductor manufacturing sectors, where its reactive properties are utilized for specific applications in these industries.

What precautions should be taken when handling 4-Chloro-5-fluoro-1H-indole-2,3-dione (CAS: 84378-94-9)?

When handling 4-Chloro-5-fluoro-1H-indole-2,3-dione (CAS: 84378-94-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle under a fume hood to minimize inhalation risks. Spills should be cleaned up according to safety data sheet (SDS) recommendations. Proper storage in secure, well-ventilated areas is crucial to prevent reactions and ensure safety.